HRID200232

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID312

Chloride

Cl-

3 次

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID7109

Thianthrene

C12H8S2

HCID7237

o-Xylene

C8H10

HCID20884

Acetic acid, chlorooxo-, ethyl ester

C4H5ClO3

HCID104727

Aluminum Cation

Al+3

HCID21511227

未命名化合物

HCID68139441

未命名化合物

PRODUCTS

生成物

HCID21511250

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84b9e6fc233a42e3915a9802a3498157
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Al+3:44].[C:35]([Cl:36])([C:37]([O:38][CH2:39][CH3:40])=[O:41])=[O:42].[Cl-:43].[Cl-:45].[Cl-:46].[Cl:77][CH2:78][CH2:79][Cl:80].[c:47]1([C:48](=[O:49])[C:50]([OH:51])=[O:52])[c:53]2[c:62]([cH:63][cH:64][cH:65]1)[S:61][c:56]1[c:55]([cH:60][cH:59][cH:58][cH:57]1)[S:54]2.[c:66]1([CH3:67])[cH:68][cH:69][c:70]([S:71]([OH:72])(=[O:73])=[O:74])[cH:75][cH:76]1.[c:81]1([CH3:82])[c:83]([CH3:84])[cH:85][cH:86][cH:87][cH:88]1.[cH:1]1[c:2]([C:15]([C:16](=[O:17])[OH:18])([CH3:19])[OH:20])[cH:3][cH:4][c:5]2[c:14]1[S:13][c:12]1[c:7]([cH:8][cH:9][cH:10][cH:11]1)[S:6]2.[cH:21]1[c:22]2[c:31]([cH:32][cH:33][cH:34]1)[S:30][c:25]1[c:24]([cH:29][cH:28][cH:27][cH:26]1)[S:23]2>>[cH:1]1[c:2]([CH:15]([C:16](=[O:17])[OH:18])[CH3:19])[cH:3][cH:4][c:5]2[c:14]1[S:13][c:12]1[c:7]([cH:8][cH:9][cH:10][cH:11]1)[S:6]2